2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine

C15H25NO — CID 65300788

IUPAC2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1ccc(CCC(C)(C)CN)cc1
InChIInChI=1S/C15H25NO/c1-12(2)17-14-7-5-13(6-8-14)9-10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3
InChIKeyOYHPARYSTLSQCN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.39
Rot. Bonds6

About 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine

2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 65300788) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
PubChem CID65300788
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
SMILESCC(C)Oc1ccc(CCC(C)(C)CN)cc1
InChIInChI=1S/C15H25NO/c1-12(2)17-14-7-5-13(6-8-14)9-10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3
InChIKeyOYHPARYSTLSQCN-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 62930718
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
N-[3,3-dimethyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304298
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
3-methyl-1-N-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,3-diamine
CID 115200801
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
N-[(2S)-2-[4-(3,3-dimethylbutyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 177295923
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine (CID 65300788) is 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine is CC(C)Oc1ccc(CCC(C)(C)CN)cc1.
What is the InChIKey of 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is OYHPARYSTLSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)17-14-7-5-13(6-8-14)9-10-15(3,4)11-16/h5-8,12H,9-11,16H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine?
2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 65300788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).